Geometry & MOs

Info

ID:	414619
PubChem CID:	135087578
Reduced:	OSN6C17H22 (1)
Stoich.:	ABC6D17E22 (1)
Weight, g/mol:	338.174276
ΔH_f, kcal/mol:	37.97
Dipole, Da:	4.45
IP(EA), eV:	-8.78(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(5-propyl-1,2,4-oxadiazol-3-yl)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)CN2CCN(CC2)C3=NC=CC=N3)C4=NC=CS4

DOS

IR

Vibrations